methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H13N3O6S/c1-25-12-3-4-13-14(8-12)27-17(18-13)19-15(21)9-5-10(16(22)26-2)7-11(6-9)20(23)24/h3-8H,1-2H3,(H,18,19,21)